Compound ID | 3320

Update compound information

Actaplanin

Synonym(s): A4696  |  A-4696  |  A 4696

Class: Glycopeptide

Spectrum of activity: Gram-positive
Details of activity: Active against infections caused by Gram-positive bacteria (i.e. Staphylococcus aureus and Streptococcus pneumoniae
Description: Natural product from Actinoplanes inissouriensis; used as an additive of swine, ruminant, and poultry feed
Institute where first reported: Eli Lilly and Company
Year first mentioned: 1984
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1970.25
Iso. SMILES: CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)OC5C(C(C(C(O5)CO)O)O)O)C6=C(C=CC(=C6)C(C(=O)N3)NC(=O)C7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9)Cl)OC1C(C(C(C(O1)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)OC1=CC=C(CC2C(=O)NC(C3=CC(=C(C(=C3)OC3C(C(C(C(O3)CO)O)O)O)C)OC3=C(C=CC(=C3)C(C(=O)N2)N)O)C(=O)N7)C=C1)O)C(=O)OC)N)O
InChI Key: PFEBYWJUETVBLJ-UHFFFAOYSA-N
Can. SMILES: CC1=C(C=C2C=C1OC3=CC(=CC=C3O)C(C(=O)NC4CC5=CC=C(C=C5)OC6=CC7=CC(=C6OC8C(C(C(C(COC9C(C(C(C(CO)O9)O)O)O)O8)O)O)O)OC%10=CC=C(C=C%10Cl)C(C%11C(=O)NC(C%12=CC(=CC(=C%12C%13=CC(=CC=C%13O)C(C(=O)N%11)NC(=O)C7NC(=O)C2NC4=O)OC%14C(C(C(C(CO)O%14)O)O)O)O)C(=O)OC)OC%15CC(C(C(C)O%15)O)N)N)OC%16C(C(C(C(CO)O%16)O)O)O
InChI: InChI=1S/C90H101ClN8O40/c1-29-47-18-35(19-48(29)132-88-75(116)71(112)67(108)54(26-101)135-88)61-83(122)97-62-36-20-51(129-38-9-4-31(5-10-38)14-43(80(119)95-61)94-81(120)59(93)32-6-12-45(105)49(17-32)131-47)79(139-90-77(118)73(114)69(110)56(137-90)28-127-87-74(115)70(111)66(107)53(25-100)134-87)52(21-36)130-46-13-8-34(16-41(46)91)78(138-57-24-42(92)65(106)30(2)128-57)64-85(124)98-63(86(125)126-3)40-22-37(103)23-50(133-89-76(117)72(113)68(109)55(27-102)136-89)58(40)39-15-33(7-11-44(39)104)60(82(121)99-64)96-84(62)123/h4-13,15-23,30,42-43,53-57,59-78,87-90,100-118H,14,24-28,92-93H2,1-3H3,(H,94,120)(H,95,119)(H,96,123)(H,97,122)(H,98,124)(H,99,121)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16132360
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/37/2/37_2_85/_article/-char/en
Patent: GB2138822A

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